2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol

C14H12N2O2 — CID 82829837

IUPAC2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1c(O)cccc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C14H12N2O2/c1-8-10(3-2-4-13(8)18)14-15-11-6-5-9(17)7-12(11)16-14/h2-7,17-18H,1H3,(H,15,16)
InChIKeyUQFMQQUGPXLLLG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.95
Rot. Bonds1

About 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol

2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol (PubChem CID 82829837) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
PubChem CID82829837
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1c(O)cccc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C14H12N2O2/c1-8-10(3-2-4-13(8)18)14-15-11-6-5-9(17)7-12(11)16-14/h2-7,17-18H,1H3,(H,15,16)
InChIKeyUQFMQQUGPXLLLG-UHFFFAOYSA-N
XLogP2.95
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol (CID 82829837) is 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol is Cc1c(O)cccc1-c1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol?
The InChIKey is UQFMQQUGPXLLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-10(3-2-4-13(8)18)14-15-11-6-5-9(17)7-12(11)16-14/h2-7,17-18H,1H3,(H,15,16).
What are the key properties of 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol?
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol has a molecular weight of 240.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 82829837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).